4R52
1.5 angstrom crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-06-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 58.320, 58.320, 231.849 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.349 - 1.530 |
R-factor | 0.198 |
Rwork | 0.197 |
R-free | 0.21420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yfu |
RMSD bond length | 0.006 |
RMSD bond angle | 1.151 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.560 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.060 | 0.932 |
Number of reflections | 36541 | |
<I/σ(I)> | 59.1 | 2.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 21.7 | 22.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 20% PEG 8000, 0.2 M magnesium chloride, 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |